CYCLO[-(D-VAL-L-LAC-L-VAL-D-PRO)4-]-TALLIUM CATION

SpectraBase Compound ID	JVP4cn3nHn2
InChI	InChI=1S/C72H116N12O20.Tl/c1-33(2)49-65(93)81-29-21-25-45(81)61(89)77-54(38(11)12)70(98)102-42(18)58(86)74-51(35(5)6)67(95)83-31-23-27-47(83)63(91)79-56(40(15)16)72(100)104-44(20)60(88)76-52(36(7)8)68(96)84-32-24-28-48(84)64(92)80-55(39(13)14)71(99)103-43(19)59(87)75-50(34(3)4)66(94)82-30-22-26-46(82)62(90)78-53(37(9)10)69(97)101-41(17)57(85)73-49;/h33-56H,21-32H2,1-20H3,(H,73,85)(H,74,86)(H,75,87)(H,76,88)(H,77,89)(H,78,90)(H,79,91)(H,80,92);/q;+1/t41-,42-,43-,44-,45+,46+,47+,48+,49-,50-,51-,52-,53+,54+,55+,56+;/m1./s1
InChIKey	CPIZDTLSPYXNCA-VJYSMTMHSA-N Google Search
Mol Weight	1674.2 g/mol
Molecular Formula	C72H116N12O20Tl
Exact Mass	1673.817311 g/mol

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SpectraBase Spectrum ID	26etu7LNBYE
Name	CYCLO[-(D-VAL-L-LAC-L-VAL-D-PRO)4-]-TALLIUM CATION
Comments	7
Copyright	Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula	C72H116N12O20Tl
InChI	InChI=1S/C72H116N12O20.Tl/c1-33(2)49-65(93)81-29-21-25-45(81)61(89)77-54(38(11)12)70(98)102-42(18)58(86)74-51(35(5)6)67(95)83-31-23-27-47(83)63(91)79-56(40(15)16)72(100)104-44(20)60(88)76-52(36(7)8)68(96)84-32-24-28-48(84)64(92)80-55(39(13)14)71(99)103-43(19)59(87)75-50(34(3)4)66(94)82-30-22-26-46(82)62(90)78-53(37(9)10)69(97)101-41(17)57(85)73-49;/h33-56H,21-32H2,1-20H3,(H,73,85)(H,74,86)(H,75,87)(H,76,88)(H,77,89)(H,78,90)(H,79,91)(H,80,92);/q;+1/t41-,42-,43-,44-,45+,46+,47+,48+,49-,50-,51-,52-,53+,54+,55+,56+;/m1./s1
InChIKey	CPIZDTLSPYXNCA-VJYSMTMHSA-N
Instrument Name	Varian CFT-20
Literature Reference	T.A.BALASHOVA, L.A.FONINA, L.B.SENYAVINA, N.V.STAROVOITOVA, G.YA.AVOTIN,V.T.IVANOV, YU.A.OVCHINNIKOV (1984) Bioorganich.Khim.(Russ. Lang.): v.10, N4,437-458.
NMR Standard	TMS
Origin	Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent	CDCl3